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Home Nitriles 2,4-Dihydroxypyrimidine-5-carbonitrile

2,4-Dihydroxypyrimidine-5-carbonitrile

CAS No.:
4425-56-3
Catalog Number:
AG007298
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$88
- +
5g
97%
In Stock USA
United States
$250
- +
10g
97%
In Stock USA
United States
$375
- +
25g
97%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG007298
Chemical Name:
2,4-Dihydroxypyrimidine-5-carbonitrile
CAS Number:
4425-56-3
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
MDL Number:
MFCD00051958
IUPAC Name:
2,4-dioxo-1H-pyrimidine-5-carbonitrile
InChI:
InChI=1S/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10)
InChI Key:
HAUXRJCZDHHADG-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c(=O)[nH]c1=O
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
137.098g/mol
Monoisotopic Mass:
137.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
[Ru(bpy)2(5-cyanouracil)2]2+ as a potential light-activated dual-action therapeutic agent. Inorganic chemistry 20111003
Synthesis and antimicrobial evaluation of some 6-aryl-5-cyano-2-thiouracil derivatives. Acta pharmaceutica (Zagreb, Croatia) 20110601
Metal-ion selectivity of chemically modified uracil pairs in DNA duplexes. Angewandte Chemie (International ed. in English) 20090101
Metal ion binding of modified pyrimidine-base pairs in DNA duplexes. Nucleic acids symposium series (2004) 20090101
A multi-component reaction to 5-cyanouracils: synthesis and mechanistic study. Bioorganic & medicinal chemistry 20060515
Parallel synthesis of 5-cyano-6-aryl-2-thiouracil derivatives as inhibitors for hepatitis C viral NS5B RNA-dependent RNA polymerase. Bioorganic chemistry 20060201
Design and synthesis of the tumor-activated prodrug of dihydropyrimidine dehydrogenase (DPD) inhibitor, RO0094889 for combination therapy with capecitabine. Bioorganic & medicinal chemistry letters 20030310
Properties